2-azanyl-3-[4-[[2-oxidanylidene-3-(4-piperazin-1-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[[2-oxidanylidene-3-(4-piperazin-1-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[[2-oxo-3-(4-piperazin-1-ylbutyl)oxazolidin-5-yl]methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[2-oxo-3-[4-(1-piperazinyl)butyl]-5-oxazolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[2-oxo-3-(4-piperazin-1-ylbutyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[[2-keto-3-(4-piperazinobutyl)oxazolidin-5-yl]methoxy]phenyl]propionic acid Formula: C21H32N4O5 MolecularWeight: 420.50258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCCN2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

C1CN(CCN1)CCCCN2CC(OC2=O)COC3=CC=C(C=C3)CC(C(=O)O)N

InChI

InChI=1S/C21H32N4O5/c22-19(20(26)27)13-16-3-5-17(6-4-16)29-15-18-14-25(21(28)30-18)10-2-1-9-24-11-7-23-8-12-24/h3-6,18-19,23H,1-2,7-15,22H2,(H,26,27)